2-methylpropyl 1-[(3-cyanophenyl)methyl]-4-(4-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: 2-methylpropyl 1-[(3-cyanophenyl)methyl]-4-(4-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: isobutyl 1-[(3-cyanophenyl)methyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 1-[(3-cyanophenyl)methyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 1-(3-cyanobenzyl)-4-(4-fluorophenyl)-2-keto-6-methyl-3,4-dihydropyridine-5-carboxylic acid isobutyl ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1CC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)F)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(CC(=O)N1CC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)F)C(=O)OCC(C)C

InChI

InChI=1S/C25H25FN2O3/c1-16(2)15-31-25(30)24-17(3)28(14-19-6-4-5-18(11-19)13-27)23(29)12-22(24)20-7-9-21(26)10-8-20/h4-11,16,22H,12,14-15H2,1-3H3